4-cyanobutyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 4-cyanobutyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 4-cyanobutyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid 4-cyanobutyl ester IUPAC Name: 4-cyanobutyl 1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid 4-cyanobutyl ester Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCCCC#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCCCC#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-12-15-11-16(18(23)24-10-4-2-3-9-20)25-17(15)22(21-12)14-7-5-13(19)6-8-14/h5-8,11H,2-4,10H2,1H3